Molecule

ID:50301

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NS
Molecular Mass
153.24464
Exact Mass
153.06122036
Charge
0
InChI
InChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKey
VPBWFYNSOJYNJP-UHFFFAOYSA-N
Canonic Smiles
NC1CCCc2c1ccs2
Isomeric Smiles
c12c(scc1)CCCC2N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9798387
LogD (pH = 7.4)
0.0140859345
Log P
2.0006886
Molar Refractivity
43.7571
Polarizability
17.054235
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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